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N'-[(E)-(4-tert-butylphenyl)methylidene]-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetohydrazide

View entire compound with spectra: 2 NMR

N'-[(E)-(4-tert-butylphenyl)methylidene]-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetohydrazide
SpectraBase Compound ID 7akfHx4YKyF
InChI InChI=1S/C29H30N4O2S2/c1-29(2,3)20-15-13-19(14-16-20)17-30-32-24(34)18-36-28-31-26-25(22-11-7-8-12-23(22)37-26)27(35)33(28)21-9-5-4-6-10-21/h4-6,9-10,13-17H,7-8,11-12,18H2,1-3H3,(H,32,34)/b30-17+
InChIKey SELYUSHZMGTDTL-OCSSWDANSA-N
Mol Weight 530.71 g/mol
Molecular Formula C29H30N4O2S2
Exact Mass 530.181019 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Le78L0YddfG
Name N'-[(E)-(4-tert-butylphenyl)methylidene]-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-D]pyrimidin-2-yl)sulfanyl]acetohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 530.181018568 u
Formula C29H30N4O2S2
InChI InChI=1S/C29H30N4O2S2/c1-29(2,3)20-15-13-19(14-16-20)17-30-32-24(34)18-36-28-31-26-25(22-11-7-8-12-23(22)37-26)27(35)33(28)21-9-5-4-6-10-21/h4-6,9-10,13-17H,7-8,11-12,18H2,1-3H3,(H,32,34)/b30-17+
InChIKey SELYUSHZMGTDTL-OCSSWDANSA-N
Molecular Weight 530.705 g/mol
SMILES N(\N=C\C=1C=CC(C(C)(C)C)=CC1)C(CSC=1N(C(C2=C(N1)SC1=C2CCCC1)=O)C=1C=CC=CC1)=O